UCSF

ZINC34990888

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 4.57 -45.04 2 5 1 62 290.387 8
Lo Low (pH 4.5-6) 1.44 6.84 -109.2 3 5 2 63 291.395 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )